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1-Cinnamoylpyrrolidine

CAT: 0127-BUP00332-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00332-01Size:1 mg
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CAS Number
52438-21-8
Purity
=95%
Smiles
C(/C=C/C1=CC=CC=C1)(=O)N2CCCC2

Chemical Information

(E)-3-Phenyl-1-(pyrrolidino)-2-propen-1-one

1-Cinnamoylpyrrolidine is an olefinic compound. It is functionally related to a cinnamic acid.

CAS Number52438-21-8
PubChem CID765514
IUPAC Name(E)-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one
Molecular FormulaC13H15NO
Molecular Weight201.26
XLogP2.4
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity235
SMILES
C1CCN(C1)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8+
InChIKey
JSIGICUAXLIURX-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-Phenyl-1-(pyrrolidino)-2-propen-1-one
CAS: 52438-21-8
CID: 765514
Formula: C13H15NO
MW: 201.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.26
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass201.115364102
Monoisotopic Mass201.115364102
Topological Polar Surface Area20.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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